Context constructor now uses const System&, guaranteeing that System won't be modified.

openmmapi/include/openmm/AndersenThermostat.h

@@ -100,7 +100,7 @@ public:
         randomNumberSeed = seed;
     }
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     double defaultTemp, defaultFreq;
     int randomNumberSeed;

openmmapi/include/openmm/CMAPTorsionForce.h

@@ -149,7 +149,7 @@ public:
      */
     void setTorsionParameters(int index, int map, int a1, int a2, int a3, int a4, int b1, int b2, int b3, int b4);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class MapInfo;
     class CMAPTorsionInfo;

openmmapi/include/openmm/CMMotionRemover.h

@@ -62,7 +62,7 @@ public:
         frequency = freq;
     }
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     int frequency;
 };

openmmapi/include/openmm/Context.h

@@ -72,7 +72,7 @@ public:
      * @param system      the System which will be simulated
      * @param integrator  the Integrator which will be used to simulate the System
      */
-    Context(System& system, Integrator& integrator);
+    Context(const System& system, Integrator& integrator);
     /**
      * Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used
      * to perform calculations.
@@ -81,7 +81,7 @@ public:
      * @param integrator  the Integrator which will be used to simulate the System
      * @param platform    the Platform to use for calculations
      */
-    Context(System& system, Integrator& integrator, Platform& platform);
+    Context(const System& system, Integrator& integrator, Platform& platform);
     /**
      * Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used
      * to perform calculations and the values of platform-specific properties.
@@ -91,16 +91,12 @@ public:
      * @param platform    the Platform to use for calculations
      * @param properties  a set of values for platform-specific properties.  Keys are the property names.
      */
-    Context(System& system, Integrator& integrator, Platform& platform, const std::map<std::string, std::string>& properties);
+    Context(const System& system, Integrator& integrator, Platform& platform, const std::map<std::string, std::string>& properties);
     ~Context();
     /**
      * Get System being simulated in this context.
      */
     const System& getSystem() const;
-    /**
-     * Get System being simulated in this context.
-     */
-    System& getSystem();
     /**
      * Get Integrator being used to by this context.
      */

openmmapi/include/openmm/CustomAngleForce.h

@@ -203,7 +203,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class AngleInfo;
     class AngleParameterInfo;

openmmapi/include/openmm/CustomBondForce.h

@@ -200,7 +200,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class BondInfo;
     class BondParameterInfo;

openmmapi/include/openmm/CustomCompoundBondForce.h

@@ -270,7 +270,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class BondInfo;
     class BondParameterInfo;

openmmapi/include/openmm/CustomExternalForce.h

@@ -200,7 +200,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class ParticleInfo;
     class ParticleParameterInfo;

openmmapi/include/openmm/CustomGBForce.h

@@ -496,7 +496,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class ParticleInfo;
     class PerParticleParameterInfo;

openmmapi/include/openmm/CustomHbondForce.h

@@ -416,7 +416,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class GroupInfo;
     class PerPairParameterInfo;

openmmapi/include/openmm/CustomNonbondedForce.h

@@ -327,7 +327,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class ParticleInfo;
     class PerParticleParameterInfo;

openmmapi/include/openmm/CustomTorsionForce.h

@@ -206,7 +206,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class TorsionInfo;
     class TorsionParameterInfo;

openmmapi/include/openmm/Force.h

@@ -85,7 +85,7 @@ protected:
      * It should create a new ForceImpl object which can be used by the context for calculating forces.
      * The ForceImpl will be deleted automatically when the Context is deleted.
      */
-    virtual ForceImpl* createImpl() = 0;
+    virtual ForceImpl* createImpl() const = 0;
     /**
      * Get the ForceImpl corresponding to this Force in a Context.
      */

openmmapi/include/openmm/GBSAOBCForce.h

@@ -167,7 +167,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class ParticleInfo;
     NonbondedMethod nonbondedMethod;

openmmapi/include/openmm/GBVIForce.h

@@ -228,7 +228,7 @@ public:
      */
     void setQuinticUpperBornRadiusLimit(double quinticUpperBornRadiusLimit);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class ParticleInfo;
     NonbondedMethod nonbondedMethod;

openmmapi/include/openmm/HarmonicAngleForce.h

@@ -103,7 +103,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class AngleInfo;
     std::vector<AngleInfo> angles;

openmmapi/include/openmm/HarmonicBondForce.h

@@ -100,7 +100,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class BondInfo;
     std::vector<BondInfo> bonds;

openmmapi/include/openmm/MonteCarloBarostat.h

@@ -119,7 +119,7 @@ public:
         randomNumberSeed = seed;
     }
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     double defaultPressure, temperature;
     int frequency, randomNumberSeed;

openmmapi/include/openmm/NonbondedForce.h

@@ -296,7 +296,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class ParticleInfo;
     class ExceptionInfo;

openmmapi/include/openmm/PeriodicTorsionForce.h

@@ -109,7 +109,7 @@ public:
      */
     void updateParametersInContext(Context& context);
 protected:
-    ForceImpl* createImpl();
+    ForceImpl* createImpl() const;
 private:
     class PeriodicTorsionInfo;
     std::vector<PeriodicTorsionInfo> periodicTorsions;